Molecule

ID:33649

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₅
Molecular Mass
263.24602
Exact Mass
263.07937252
Charge
0
InChI
InChI=1S/C13H13NO5/c1-8-9(12(13(15)16)14-19-8)7-18-11-6-4-3-5-10(11)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKey
WYFKBNZBIMOSJK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCc1c(C)onc1C(=O)O
Isomeric Smiles
c1(c(c(on1)C)COc1c(OC)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8695557
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.35486373
LogD (pH = 7.4)
-1.2391376
Log P
1.9899163
Molar Refractivity
67.0729
Polarizability
25.143562
Polar Surface Area
81.79
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation